SCHEMBL3339698

SCHEMBL3339698

Cc1ccc(C)c(CNc2ncnc3scc(C)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 3/20 0.52
HTT P42858 1/20 0.52
PIP4K2C Q8TBX8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
ESR1 P03372 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NOD2 Q9HC29 1/20 0.42
TNF P01375 2/20 0.41
NOD1 Q9Y239 2/20 0.41
MAPK1 P28482 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MEN1 O00255 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3340270 0.82 RAB9A (0.52) SMN1; SMN2RAB9AHTTPIP4K2CLMNA
SCHEMBL3339730 0.80 HTT (0.48) SMN1; SMN2RAB9AHTTPIP4K2CLMNA
SCHEMBL3339118 0.80 LMNA (0.50) SMN1; SMN2RAB9AHTTPIP4K2CLMNA
SCHEMBL3340252 0.80 HTT (0.56) SMN1; SMN2RAB9AHTTPIP4K2CL3MBTL1
SCHEMBL3338956 0.80 MEN1 (0.60) SMN1; SMN2RAB9AHTTPIP4K2CL3MBTL1
SCHEMBL3343049 0.78 RAB9A (0.60) SMN1; SMN2RAB9AHTTPIP4K2CLMNA
SCHEMBL3339804 0.78 MEN1 (0.64) SMN1; SMN2RAB9AHTTLMNAPOLB
SCHEMBL3339821 0.77 RAB9A (0.53) SMN1; SMN2RAB9AHTTPIP4K2CL3MBTL1
SCHEMBL3339949 0.76 RAB9A (0.52) SMN1; SMN2RAB9AHTTPIP4K2CLMNA
SCHEMBL3338968 0.76 RAB9A (0.49) SMN1; SMN2RAB9AHTTPIP4K2CLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 SMN1; SMN2 4740/4885RAB9A 2578/4885HTT 383/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.